Input 06-rdmft.03-gs_grid.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
RDMFT converged energy -1.176087153300000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172202999999318e-04 PASS
RDMFT highest occupation number 1.946763514003000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.320295100002092e-05 PASS
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